SCHEMBL255476

SCHEMBL255476

CN1CCN(C(=O)OC(C)(C)C)C(c2ccc(N)cc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.43
CYP19A1 P11511 3/20 0.39
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SETD7 Q8WTS6 2/20 0.36
MAP4K4 O95819 1/20 0.36
JAK3 P52333 1/20 0.36
NR1H3 Q13133 3/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
HSD11B1 P28845 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18778766 0.87 MAP4K4 (0.37) NR1H2SETD7MAP4K4JAK3
SCHEMBL27950909 0.87 NR1H2 (0.44) NR1H2NR1H3
SCHEMBL31269574 0.84 HDAC1 (0.42) NR1H2ALDH1A1NPC1MAPK1HTT
SCHEMBL255550 0.83 ALDH1A1 (0.50) ALDH1A1MAPT
SCHEMBL18778774 0.82 POLB (0.38) RAB9ASETD7
SCHEMBL160942 0.81 CYP19A1 (0.41) CYP19A1
SCHEMBL31269637 0.81 DRD2 (0.41) NR1H2SETD7NR1H3
SCHEMBL15344518 0.76 BTK (0.43)
SCHEMBL28097449 0.75 NR1H2 (0.45) NR1H2ALDH1A1NPC1MAPTMAPK1
SCHEMBL26548235 0.74 NR1H2 (0.42) NR1H2CYP19A1SETD7MAP4K4JAK3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106220614-B Pyridone/pyrazinones, preparation method and application method 吉利德康涅狄格有限公司 2019-07-16 CN disclosed
CN-106220614-A Pyridone/pyrazinones, its preparation method and using method 吉利德康涅狄格有限公司 2016-12-14 CN disclosed
US-9249123-B2 Pyridinones/pyrazinones, method of making, and method of use thereof GENENTECH, INC. (US) 2016-02-02 US disclosed
US-9249123-B2 Pyridinones/pyrazinones, method of making, and method of use thereof GENENTECH, INC. (US) 2016-02-02 US disclosed
US-9249123-B2 Pyridinones/pyrazinones, method of making, and method of use thereof GENENTECH, INC. (US) 2016-02-02 US disclosed
EP-2611790-B1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT INC (US) 2015-11-04 EP disclosed
US-20130281432-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GENENTECH, INC. (US) 2013-10-24 US disclosed
US-20130281432-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GENENTECH, INC. (US) 2013-10-24 US disclosed
US-20130281432-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GENENTECH, INC. (US) 2013-10-24 US disclosed
CN-103189369-A Pyridone/pyrazinones, methods of making, and methods of use thereof GILEAD CONNECTICUT INC 2013-07-03 CN disclosed
WO-2012031004-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT, INC. (US) 2012-03-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130281432-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, PDXK, TYK2 NR1H2 2001/4885CYP19A1 1375/4885ALDH1A1 3587/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.